2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

C19H19N3O2S — CID 113016312

IUPAC2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)cn2)c1
InChIInChI=1S/C19H19N3O2S/c1-14-6-5-8-16(12-14)21-19-11-10-17(13-20-19)22-25(23,24)18-9-4-3-7-15(18)2/h3-13,22H,1-2H3,(H,20,21)
InChIKeyBAHBYGZGCLQXAO-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.24
Rot. Bonds5

About 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113016312) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113016312
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)cn2)c1
InChIInChI=1S/C19H19N3O2S/c1-14-6-5-8-16(12-14)21-19-11-10-17(13-20-19)22-25(23,24)18-9-4-3-7-15(18)2/h3-13,22H,1-2H3,(H,20,21)
InChIKeyBAHBYGZGCLQXAO-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113023281
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113034137
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
CID 113020658
N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113020920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113016312) is 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)cn2)c1.
What is the InChIKey of 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is BAHBYGZGCLQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-6-5-8-16(12-14)21-19-11-10-17(13-20-19)22-25(23,24)18-9-4-3-7-15(18)2/h3-13,22H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113016312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).